#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ylb s GLU 2 N 0.00 3.04 -0.24 5.55 -1.05 -1.26 -1.98 118.70 122.77 1ylb s GLU 2 Ca 0.00 -2.04 -0.29 0.00 -0.15 0.00 0.00 54.97 52.49 1ylb s GLU 2 Cb 0.00 -4.21 -0.02 0.00 -0.44 0.00 0.00 34.13 29.46 1ylb s GLU 2 CO 0.00 -1.27 1.60 0.14 0.95 0.00 0.00 175.26 176.67 1ylb s VAL 3 N 0.93 3.72 -0.67 1.83 -7.23 0.86 -4.77 120.40 115.06 1ylb s VAL 3 Ca 0.10 0.81 -0.24 0.00 -1.81 0.00 0.00 61.98 60.84 1ylb s VAL 3 Cb -0.22 -3.75 0.06 0.00 0.56 0.00 0.00 36.38 33.02 1ylb s VAL 3 CO -0.02 -0.33 1.06 -0.22 -0.31 0.00 0.00 175.10 175.28 1ylb s LEU 4 N 5.23 3.98 -0.54 1.32 2.96 -0.10 -1.71 118.68 129.83 1ylb s LEU 4 Ca 0.70 -0.77 -0.27 0.00 -0.22 0.00 0.00 54.13 53.57 1ylb s LEU 4 Cb -0.24 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 1ylb s LEU 4 CO 0.29 -1.55 1.68 -0.76 -1.32 0.00 0.00 176.35 174.70 1ylb s LEU 5 N 4.57 3.37 0.00 -0.68 1.02 0.64 -1.50 118.68 126.09 1ylb s LEU 5 Ca 0.27 0.50 0.00 0.00 0.02 0.00 0.00 54.13 54.92 1ylb s LEU 5 Cb -0.14 -2.91 0.00 0.00 0.02 0.00 0.00 46.19 43.16 1ylb s LEU 5 CO 0.12 -2.00 0.00 0.61 0.02 0.00 0.00 176.35 175.10 1ylb n GLY 6 N 5.49 0.76 1.14 -3.19 0.00 0.47 -0.44 105.19 109.41 1ylb n GLY 6 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1ylb n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ylb n GLY 7 N 0.00 -0.16 2.73 -0.02 0.00 -0.08 -0.89 105.19 106.76 1ylb n GLY 7 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1ylb n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ylb n GLY 8 N 1.80 1.19 4.54 -0.02 0.00 -1.26 -1.07 105.19 110.37 1ylb n GLY 8 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ylb n GLY 8 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ylb n ASP 9 N -1.15 0.00 -0.30 1.61 2.03 -0.07 -4.53 116.55 114.14 1ylb n ASP 9 Ca -0.12 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.28 1ylb n ASP 9 Cb 0.59 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 41.43 1ylb n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ylb n GLY 10 N 0.00 -0.30 2.69 0.27 0.00 -1.23 -4.47 105.19 102.16 1ylb n GLY 10 Ca 0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1ylb n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ylb s SER 11 N -1.54 2.92 -0.96 1.61 0.01 -0.24 -5.07 113.70 110.43 1ylb s SER 11 Ca 0.29 -0.88 -0.22 0.00 1.31 0.00 0.00 55.95 56.45 1ylb s SER 11 Cb 0.15 -0.52 -0.12 0.00 0.21 0.00 0.00 66.02 65.74 1ylb s SER 11 CO 0.23 -0.34 1.92 -0.11 0.41 0.00 0.00 173.24 175.36 1ylb n LEU 12 N 5.10 3.67 -3.95 2.44 7.94 -1.26 -2.18 117.00 128.76 1ylb n LEU 12 Ca -0.08 -3.04 -0.09 0.00 -1.11 0.00 0.00 56.01 51.68 1ylb n LEU 12 Cb 0.47 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 1ylb n LEU 12 CO 0.11 -0.98 0.30 0.00 -1.11 0.00 0.00 177.39 175.72 1ylb s ALA 13 N 7.59 -0.39 0.66 1.96 0.00 -1.26 -3.97 121.76 126.35 1ylb s ALA 13 Ca 0.62 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 1ylb s ALA 13 Cb 0.08 0.96 0.01 0.00 0.00 0.00 0.00 23.12 24.17 1ylb s ALA 13 CO 0.13 -0.91 1.01 -0.06 0.00 0.00 0.00 175.76 175.93 1ylb s PHE 14 N -3.52 3.27 -0.10 0.00 0.08 -1.26 -0.40 117.98 116.06 1ylb s PHE 14 Ca 0.20 0.85 -0.01 0.00 0.12 0.00 0.00 56.93 58.09 1ylb s PHE 14 Cb -0.03 -2.95 0.03 0.00 -0.57 0.00 0.00 43.02 39.51 1ylb s PHE 14 CO 0.11 -1.05 -0.01 -0.51 -0.10 0.00 0.00 175.22 173.65 1ylb s LEU 15 N -5.21 0.82 0.76 -0.37 1.43 -0.56 -4.09 118.68 111.46 1ylb s LEU 15 Ca 0.56 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 1ylb s LEU 15 Cb -0.11 -0.56 0.05 0.00 0.03 0.00 0.00 46.19 45.60 1ylb s LEU 15 CO 0.49 -0.19 1.08 -2.16 0.23 0.00 0.00 176.35 175.80 1ylb s PRO 16 N 1.89 2.35 -0.01 1.29 0.04 -1.26 -0.92 135.00 138.38 1ylb s PRO 16 Ca 0.04 0.97 0.21 0.00 0.04 0.00 0.00 61.00 62.26 1ylb s PRO 16 Cb -0.13 -1.92 -0.25 0.00 0.04 0.00 0.00 34.50 32.23 1ylb s PRO 16 CO -0.06 -1.52 0.79 0.41 0.04 0.00 0.00 177.00 176.65 1ylb n GLY 17 N -1.61 -0.98 2.85 0.56 0.00 -1.26 -4.83 105.19 99.93 1ylb n GLY 17 Ca 0.08 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1ylb n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ylb s ASP 18 N -3.35 0.29 0.31 1.61 2.15 -1.26 -0.72 116.67 115.69 1ylb s ASP 18 Ca 0.04 0.25 -0.09 0.00 0.43 0.00 0.00 52.55 53.18 1ylb s ASP 18 Cb 0.15 0.15 0.01 0.00 -0.30 0.00 0.00 42.92 42.93 1ylb s ASP 18 CO 0.87 -0.18 0.54 0.72 -0.17 0.00 0.00 175.17 176.94 1ylb s PHE 19 N 1.59 0.60 0.13 -5.34 -0.71 -0.10 -4.97 117.98 109.18 1ylb s PHE 19 Ca -0.04 -0.96 0.05 0.00 -1.04 0.00 0.00 56.93 54.93 1ylb s PHE 19 Cb -0.12 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 1ylb s PHE 19 CO -0.05 -1.16 -0.11 -1.12 -1.34 0.00 0.00 175.22 171.44 1ylb s SER 20 N -3.12 1.78 0.20 1.98 0.01 -1.26 -2.36 113.70 110.94 1ylb s SER 20 Ca 0.24 -0.93 -0.03 0.00 1.31 0.00 0.00 55.95 56.55 1ylb s SER 20 Cb -0.01 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1ylb s SER 20 CO 0.14 -0.27 0.19 0.68 0.41 0.00 0.00 173.24 174.38 1ylb s VAL 21 N -2.87 0.00 0.30 3.43 -7.23 0.31 -4.86 120.40 109.48 1ylb s VAL 21 Ca 0.13 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 1ylb s VAL 21 Cb -0.00 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1ylb s VAL 21 CO 0.01 -0.02 0.43 0.00 -0.31 0.00 0.00 175.10 175.22 1ylb s ALA 22 N -4.13 4.03 0.15 1.32 0.00 -1.26 -0.91 121.76 120.96 1ylb s ALA 22 Ca 0.36 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 1ylb s ALA 22 Cb 0.06 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 1ylb s ALA 22 CO 0.11 0.08 1.29 0.45 0.00 0.00 0.00 175.76 177.69 1ylb s SER 23 N -4.07 6.95 0.00 0.00 0.15 -1.26 -2.83 113.70 112.63 1ylb s SER 23 Ca 0.40 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.33 1ylb s SER 23 Cb -0.09 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1ylb s SER 23 CO 0.31 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1ylb n GLY 24 N 2.76 0.69 3.92 9.45 0.00 0.52 -4.98 105.19 117.55 1ylb n GLY 24 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1ylb n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ylb s GLU 25 N -0.64 2.04 -0.13 1.61 0.41 -1.13 -4.77 118.70 116.10 1ylb s GLU 25 Ca 0.00 -0.11 0.02 0.00 -0.41 0.00 0.00 54.97 54.47 1ylb s GLU 25 Cb 0.00 -2.07 0.00 0.00 -1.78 0.00 0.00 34.13 30.28 1ylb s GLU 25 CO 0.00 -1.43 -0.20 -2.00 -0.49 0.00 0.00 175.26 171.14 1ylb s GLU 26 N -5.41 3.12 -0.07 1.61 2.12 -1.26 -1.05 118.70 117.75 1ylb s GLU 26 Ca 0.61 -0.82 -0.16 0.00 0.36 0.00 0.00 54.97 54.96 1ylb s GLU 26 Cb -0.11 -2.46 -0.05 0.00 0.26 0.00 0.00 34.13 31.78 1ylb s GLU 26 CO 0.47 0.08 0.42 0.42 -0.54 0.00 0.00 175.26 176.11 1ylb s ILE 27 N 0.61 5.13 -0.30 -3.70 1.09 0.13 -4.14 121.20 120.03 1ylb s ILE 27 Ca -0.11 0.85 -0.05 0.00 -1.10 0.00 0.00 60.65 60.23 1ylb s ILE 27 Cb -0.16 -3.75 0.02 0.00 -1.06 0.00 0.00 42.46 37.51 1ylb s ILE 27 CO 0.03 0.44 0.05 -0.69 -0.10 0.00 0.00 174.94 174.68 1ylb s VAL 28 N -0.12 3.66 -0.26 2.92 1.01 -0.84 -1.30 120.40 125.47 1ylb s VAL 28 Ca 0.24 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1ylb s VAL 28 Cb -0.15 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1ylb s VAL 28 CO 0.11 0.03 0.43 -0.36 0.00 0.00 0.00 175.10 175.31 1ylb s PHE 29 N 1.43 3.27 0.10 5.22 0.08 0.37 -0.10 117.98 128.35 1ylb s PHE 29 Ca 0.01 0.52 0.05 0.00 0.12 0.00 0.00 56.93 57.62 1ylb s PHE 29 Cb -0.18 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 1ylb s PHE 29 CO 0.01 -0.23 -0.13 -1.59 -0.10 0.00 0.00 175.22 173.18 1ylb s LYS 30 N 2.09 0.93 0.71 0.44 -2.85 -0.69 -0.66 119.74 119.71 1ylb s LYS 30 Ca 0.18 -1.15 -0.11 0.00 -1.00 0.00 0.00 55.97 53.89 1ylb s LYS 30 Cb -0.16 -0.80 0.02 0.00 -2.06 0.00 0.00 37.83 34.83 1ylb s LYS 30 CO 0.09 0.15 1.07 -0.80 0.10 0.00 0.00 175.35 175.97 1ylb s ASN 31 N -2.28 5.27 0.00 0.03 0.01 -1.13 -0.26 114.94 116.58 1ylb s ASN 31 Ca 0.05 1.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 1ylb s ASN 31 Cb -0.06 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.25 1ylb s ASN 31 CO 0.02 -1.49 0.00 -3.20 -1.51 0.00 0.00 177.10 170.92 1ylb n ASN 32 N -3.15 0.22 -3.64 -1.22 5.15 0.42 -4.67 115.26 108.37 1ylb n ASN 32 Ca 0.07 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.97 1ylb n ASN 32 Cb 0.54 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.78 1ylb n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ylb s ALA 33 N -1.38 -0.76 -1.13 5.20 0.00 -1.24 -4.94 121.76 117.51 1ylb s ALA 33 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ylb s ALA 33 Cb 0.00 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1ylb s ALA 33 CO 0.00 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1ylb n GLY 34 N -0.46 -0.10 3.64 0.00 0.00 -1.26 -4.64 105.19 102.37 1ylb n GLY 34 Ca -0.04 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1ylb n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ylb n PHE 35 N -3.95 0.59 -2.36 1.61 3.72 -1.26 -4.80 117.46 111.01 1ylb n PHE 35 Ca -0.15 0.34 -0.24 0.00 -0.05 0.00 0.00 57.45 57.34 1ylb n PHE 35 Cb 0.61 -1.96 0.07 0.00 -0.94 0.00 0.00 39.48 37.25 1ylb n PHE 35 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ylb s PRO 36 N -4.60 2.19 0.32 -1.08 0.04 -1.26 -5.10 135.00 125.51 1ylb s PRO 36 Ca 0.67 -0.50 0.01 0.00 0.04 0.00 0.00 61.00 61.22 1ylb s PRO 36 Cb -0.23 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1ylb s PRO 36 CO 0.59 -1.15 0.36 -1.01 0.04 0.00 0.00 177.00 175.83 1ylb s HIS 37 N -3.12 1.34 0.34 0.56 3.76 -0.57 -4.97 115.29 112.64 1ylb s HIS 37 Ca 0.60 -1.44 -0.13 0.00 -0.15 0.00 0.00 55.06 53.95 1ylb s HIS 37 Cb -0.10 -0.39 0.05 0.00 1.11 0.00 0.00 32.58 33.26 1ylb s HIS 37 CO 0.43 -0.97 0.68 0.27 -0.85 0.00 0.00 174.74 174.30 1ylb n ASN 38 N -1.31 -1.99 -4.04 1.40 6.94 -1.26 -0.13 115.26 114.87 1ylb n ASN 38 Ca 0.04 -2.38 -0.23 0.00 -0.02 0.00 0.00 54.58 51.98 1ylb n ASN 38 Cb 0.62 3.31 -0.16 0.00 -2.36 0.00 0.00 39.78 41.19 1ylb n ASN 38 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ylb s VAL 39 N -2.23 1.06 -0.09 3.53 1.01 -1.26 -4.45 120.40 117.96 1ylb s VAL 39 Ca 0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1ylb s VAL 39 Cb -0.04 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1ylb s VAL 39 CO 0.10 0.33 -0.04 -0.69 0.00 0.00 0.00 175.10 174.80 1ylb s VAL 40 N 0.37 0.71 0.15 2.92 1.01 0.60 -0.85 120.40 125.32 1ylb s VAL 40 Ca -0.08 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1ylb s VAL 40 Cb -0.12 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 1ylb s VAL 40 CO 0.02 0.32 1.03 -0.36 0.00 0.00 0.00 175.10 176.11 1ylb s PHE 41 N 1.84 3.71 -0.53 5.22 0.40 -1.26 -0.46 117.98 126.90 1ylb s PHE 41 Ca 0.05 1.70 -0.29 0.00 -0.60 0.00 0.00 56.93 57.79 1ylb s PHE 41 Cb -0.12 -3.16 0.03 0.00 0.51 0.00 0.00 43.02 40.27 1ylb s PHE 41 CO -0.07 -0.20 1.21 0.34 0.70 0.00 0.00 175.22 177.20 1ylb s ASP 42 N -0.10 6.48 0.05 1.36 2.15 -0.46 -4.87 116.67 121.29 1ylb s ASP 42 Ca 0.48 0.32 0.03 0.00 0.43 0.00 0.00 52.55 53.80 1ylb s ASP 42 Cb -0.27 -2.55 0.15 0.00 -0.30 0.00 0.00 42.92 39.96 1ylb s ASP 42 CO 0.32 -1.41 1.05 -1.84 -0.17 0.00 0.00 175.17 173.12 1ylb n GLU 43 N 8.21 0.02 -0.00 4.34 0.28 -1.26 -0.86 120.64 131.37 1ylb n GLU 43 Ca 0.11 0.48 0.10 0.00 -0.16 0.00 0.00 57.16 57.69 1ylb n GLU 43 Cb 0.49 -1.60 -0.12 0.00 1.43 0.00 0.00 31.44 31.64 1ylb n GLU 43 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ylb n ASP 44 N -1.57 0.91 0.00 -1.84 2.03 -1.26 -4.65 116.55 110.18 1ylb n ASP 44 Ca -0.00 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.39 1ylb n ASP 44 Cb 0.05 1.07 0.00 0.00 -0.72 0.00 0.00 41.12 41.52 1ylb n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ylb n GLU 45 N -1.55 3.56 -0.67 -0.67 1.02 -0.04 -5.05 120.64 117.23 1ylb n GLU 45 Ca 0.03 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 1ylb n GLU 45 Cb 0.34 -0.45 0.17 0.00 -0.02 0.00 0.00 31.44 31.49 1ylb n GLU 45 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1ylb n ILE 46 N -0.67 0.00 -1.29 -3.67 -5.35 -0.89 -4.74 119.36 102.76 1ylb n ILE 46 Ca 0.00 -0.20 -0.30 0.00 -0.27 0.00 0.00 62.75 61.98 1ylb n ILE 46 Cb 0.00 -0.80 0.13 0.00 -1.74 0.00 0.00 39.64 37.23 1ylb n ILE 46 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1ylb s PRO 47 N -4.05 1.43 0.26 6.28 0.04 -1.25 -4.96 135.00 132.75 1ylb s PRO 47 Ca 0.62 0.76 0.12 0.00 0.04 0.00 0.00 61.00 62.54 1ylb s PRO 47 Cb -0.21 -1.83 0.25 0.00 0.04 0.00 0.00 34.50 32.75 1ylb s PRO 47 CO 0.64 -2.11 1.53 0.77 0.04 0.00 0.00 177.00 177.88 1ylb h SER 48 N -1.45 0.00 0.00 6.66 0.02 -1.97 -3.31 113.55 113.49 1ylb h SER 48 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1ylb h SER 48 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1ylb h SER 48 CO 0.56 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.51 1ylb n GLY 49 N 0.64 0.96 3.37 -3.77 0.00 -1.26 -4.81 105.19 100.32 1ylb n GLY 49 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1ylb n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ylb s VAL 50 N -1.19 0.01 -0.12 1.61 0.11 -1.25 -5.04 120.40 114.54 1ylb s VAL 50 Ca 0.00 -1.67 0.03 0.00 -2.93 0.00 0.00 61.98 57.40 1ylb s VAL 50 Cb 0.00 -2.27 -0.00 0.00 -1.53 0.00 0.00 36.38 32.58 1ylb s VAL 50 CO 0.00 -0.06 -0.21 -0.62 -3.33 0.00 0.00 175.10 170.89 1ylb s ASP 51 N -3.07 3.34 0.57 3.54 -1.08 -1.26 -4.95 116.67 113.75 1ylb s ASP 51 Ca 0.29 -0.51 0.28 0.00 -0.52 0.00 0.00 52.55 52.09 1ylb s ASP 51 Cb 0.03 -1.47 1.50 0.00 -1.46 0.00 0.00 42.92 41.52 1ylb s ASP 51 CO 0.09 0.14 1.96 0.00 0.52 0.00 0.00 175.17 177.88 1ylb h ALA 52 N 6.88 2.21 0.00 3.66 0.00 -1.94 -0.64 119.26 129.43 1ylb h ALA 52 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ylb h ALA 52 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ylb h ALA 52 CO 0.51 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1ylb n ALA 53 N -2.43 1.33 1.02 0.00 0.00 -1.26 -0.40 120.51 118.77 1ylb n ALA 53 Ca 0.08 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1ylb n ALA 53 Cb 0.60 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1ylb n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ylb n LYS 54 N -1.41 0.58 0.00 0.00 4.76 -0.25 -4.70 118.16 117.14 1ylb n LYS 54 Ca 0.02 -0.47 0.00 0.00 -2.87 0.00 0.00 58.31 54.99 1ylb n LYS 54 Cb 0.06 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1ylb n LYS 54 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1ylb n ILE 55 N -0.80 0.00 -1.36 -0.18 -5.35 0.18 -5.05 119.36 106.80 1ylb n ILE 55 Ca 0.07 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.24 1ylb n ILE 55 Cb 0.39 -0.12 0.08 0.00 -1.74 0.00 0.00 39.64 38.25 1ylb n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1ylb s SER 56 N -1.42 4.67 0.90 7.28 0.01 0.47 -4.79 113.70 120.81 1ylb s SER 56 Ca 0.00 1.71 -0.12 0.00 1.31 0.00 0.00 55.95 58.85 1ylb s SER 56 Cb 0.00 -2.46 0.13 0.00 0.21 0.00 0.00 66.02 63.90 1ylb s SER 56 CO 0.00 -1.91 1.11 -0.04 0.41 0.00 0.00 173.24 172.81 1ylb s MET 57 N -4.96 1.25 0.65 12.44 -1.94 -0.03 -4.89 119.30 121.83 1ylb s MET 57 Ca 0.60 0.47 -0.15 0.00 -1.71 0.00 0.00 55.69 54.90 1ylb s MET 57 Cb -0.16 -1.84 -0.00 0.00 2.01 0.00 0.00 34.83 34.84 1ylb s MET 57 CO 0.56 -2.16 1.10 -1.12 -0.01 0.00 0.00 175.02 173.39 1ylb s SER 58 N -3.83 5.22 0.53 3.03 0.01 -1.26 -4.94 113.70 112.45 1ylb s SER 58 Ca 0.63 1.95 0.21 0.00 1.31 0.00 0.00 55.95 60.06 1ylb s SER 58 Cb -0.16 -2.55 1.42 0.00 0.21 0.00 0.00 66.02 64.95 1ylb s SER 58 CO 0.55 -1.55 2.15 -0.08 0.41 0.00 0.00 173.24 174.71 1ylb h GLU 59 N 0.05 0.00 -0.28 12.44 4.81 -2.00 -1.51 114.58 128.09 1ylb h GLU 59 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ylb h GLU 59 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1ylb h GLU 59 CO 0.55 0.05 0.00 0.39 -0.73 0.00 0.00 179.01 179.26 1ylb n GLU 60 N -4.19 2.86 -3.56 1.92 1.02 -1.26 -4.92 120.64 112.50 1ylb n GLU 60 Ca -0.03 -2.46 -0.40 0.00 -0.02 0.00 0.00 57.16 54.25 1ylb n GLU 60 Cb 0.13 -1.57 -0.11 0.00 -0.02 0.00 0.00 31.44 29.88 1ylb n GLU 60 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ylb s ASP 61 N -1.54 5.88 0.03 1.62 2.15 -0.57 -5.08 116.67 119.16 1ylb s ASP 61 Ca 0.32 -0.60 0.01 0.00 0.43 0.00 0.00 52.55 52.71 1ylb s ASP 61 Cb 0.24 -2.09 -0.02 0.00 -0.30 0.00 0.00 42.92 40.75 1ylb s ASP 61 CO 0.11 -0.28 -0.06 -0.76 -0.17 0.00 0.00 175.17 174.02 1ylb s LEU 62 N 1.66 2.25 -0.46 -1.34 1.02 -1.26 -4.61 118.68 115.94 1ylb s LEU 62 Ca 0.05 -0.53 -0.27 0.00 0.02 0.00 0.00 54.13 53.39 1ylb s LEU 62 Cb -0.18 -0.04 0.03 0.00 0.02 0.00 0.00 46.19 46.02 1ylb s LEU 62 CO 0.09 -0.25 1.02 -0.76 0.02 0.00 0.00 176.35 176.47 1ylb s LEU 63 N -1.55 3.84 -0.01 1.79 1.43 0.81 -4.90 118.68 120.09 1ylb s LEU 63 Ca -0.12 0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 1ylb s LEU 63 Cb -0.10 -3.36 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 1ylb s LEU 63 CO -0.00 -1.13 0.22 -0.46 0.23 0.00 0.00 176.35 175.21 1ylb n ASN 64 N 7.45 2.17 -4.85 2.29 0.23 -1.26 -1.51 115.26 119.78 1ylb n ASN 64 Ca 0.09 -0.25 -0.21 0.00 -0.53 0.00 0.00 54.58 53.68 1ylb n ASN 64 Cb 0.49 1.22 -0.04 0.00 -2.08 0.00 0.00 39.78 39.37 1ylb n ASN 64 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ylb s ALA 65 N -2.23 3.87 0.16 -2.53 0.00 -1.26 -4.71 121.76 115.06 1ylb s ALA 65 Ca -0.01 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 50.02 1ylb s ALA 65 Cb 0.05 -1.12 0.06 0.00 0.00 0.00 0.00 23.12 22.11 1ylb s ALA 65 CO 0.32 -0.03 1.60 -1.35 0.00 0.00 0.00 175.76 176.29 1ylb h PRO 66 N 1.22 -0.24 -0.09 0.00 0.11 -1.94 -3.14 132.00 127.92 1ylb h PRO 66 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ylb h PRO 66 Cb 1.26 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ylb h PRO 66 CO 0.58 -0.16 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 1ylb n GLY 67 N -1.41 0.03 3.77 -0.55 0.00 -1.26 -4.16 105.19 101.60 1ylb n GLY 67 Ca 0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1ylb n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ylb s GLU 68 N -1.89 2.77 0.11 1.61 2.02 -1.19 -4.86 118.70 117.27 1ylb s GLU 68 Ca 0.35 1.34 -0.02 0.00 0.02 0.00 0.00 54.97 56.66 1ylb s GLU 68 Cb 0.19 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 1ylb s GLU 68 CO 0.29 -1.27 0.05 0.95 0.02 0.00 0.00 175.26 175.30 1ylb s THR 69 N -2.44 0.13 0.04 3.63 -4.23 -1.26 -2.85 115.64 108.67 1ylb s THR 69 Ca 0.66 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1ylb s THR 69 Cb -0.20 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1ylb s THR 69 CO 0.43 -0.59 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.39 1ylb s TYR 70 N -4.01 0.59 0.01 3.99 5.04 0.16 -5.01 117.35 118.12 1ylb s TYR 70 Ca 0.19 -0.58 -0.02 0.00 -2.44 0.00 0.00 57.07 54.23 1ylb s TYR 70 Cb 0.07 -0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.01 1ylb s TYR 70 CO -0.01 -0.13 0.02 0.15 -1.34 0.00 0.00 175.55 174.24 1ylb s LYS 71 N -1.90 0.33 -0.18 4.97 1.02 -1.26 -0.48 119.74 122.24 1ylb s LYS 71 Ca -0.08 -0.50 -0.09 0.00 0.02 0.00 0.00 55.97 55.32 1ylb s LYS 71 Cb -0.08 0.13 0.06 0.00 -0.52 0.00 0.00 37.83 37.42 1ylb s LYS 71 CO -0.01 -0.06 0.43 0.54 -0.92 0.00 0.00 175.35 175.33 1ylb s VAL 72 N -1.31 -0.10 -0.01 3.17 0.11 -0.42 -5.01 120.40 116.84 1ylb s VAL 72 Ca -0.14 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 1ylb s VAL 72 Cb -0.09 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1ylb s VAL 72 CO -0.00 0.04 1.12 -0.89 -3.33 0.00 0.00 175.10 172.04 1ylb s THR 73 N 1.56 4.41 0.20 5.04 2.01 -1.26 -0.69 115.64 126.90 1ylb s THR 73 Ca -0.09 1.72 0.11 0.00 0.31 0.00 0.00 61.69 63.74 1ylb s THR 73 Cb -0.09 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1ylb s THR 73 CO -0.13 0.08 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.46 1ylb s LEU 74 N 1.51 2.62 0.34 4.42 2.96 -0.22 -4.98 118.68 125.32 1ylb s LEU 74 Ca 0.55 -0.79 -0.09 0.00 -0.22 0.00 0.00 54.13 53.59 1ylb s LEU 74 Cb -0.24 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.14 1ylb s LEU 74 CO 0.25 0.11 0.57 0.42 -1.32 0.00 0.00 176.35 176.39 1ylb s THR 75 N -1.74 0.00 0.01 3.68 -4.23 -1.26 -0.35 115.64 111.75 1ylb s THR 75 Ca 0.23 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1ylb s THR 75 Cb -0.08 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1ylb s THR 75 CO 0.12 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.58 1ylb n GLU 76 N -0.52 -0.48 -2.06 3.99 -0.58 -1.26 -4.92 120.64 114.80 1ylb n GLU 76 Ca -0.02 0.80 -0.39 0.00 -0.42 0.00 0.00 57.16 57.13 1ylb n GLU 76 Cb 0.61 -0.60 -0.03 0.00 -0.57 0.00 0.00 31.44 30.85 1ylb n GLU 76 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1ylb s LYS 77 N -2.38 2.74 0.08 3.49 1.02 -1.26 -4.59 119.74 118.84 1ylb s LYS 77 Ca 0.00 0.67 -0.26 0.00 0.02 0.00 0.00 55.97 56.40 1ylb s LYS 77 Cb 0.00 -4.35 0.09 0.00 -0.52 0.00 0.00 37.83 33.05 1ylb s LYS 77 CO 0.00 -2.60 1.16 0.20 -0.92 0.00 0.00 175.35 173.19 1ylb s GLY 78 N 7.65 -0.06 0.42 -3.33 0.00 -1.11 -4.96 107.32 105.91 1ylb s GLY 78 Ca 0.67 -0.04 -0.25 0.00 0.00 0.00 0.00 44.72 45.10 1ylb s GLY 78 CO 0.22 3.13 1.24 -1.59 0.00 0.00 0.00 173.10 176.10 1ylb s THR 79 N -2.22 2.85 -0.47 0.90 2.01 -1.26 -1.27 115.64 116.18 1ylb s THR 79 Ca 0.23 0.72 0.04 0.00 0.31 0.00 0.00 61.69 62.99 1ylb s THR 79 Cb -0.01 -3.41 0.16 0.00 0.01 0.00 0.00 72.50 69.26 1ylb s THR 79 CO 0.02 0.07 0.35 -0.31 -0.69 0.00 0.00 174.62 174.06 1ylb s TYR 80 N -1.35 1.62 -0.23 4.92 2.02 0.54 -3.87 117.35 121.00 1ylb s TYR 80 Ca 0.58 -2.46 -0.29 0.00 -0.37 0.00 0.00 57.07 54.53 1ylb s TYR 80 Cb -0.34 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 1ylb s TYR 80 CO 0.43 -0.77 1.54 0.15 -1.57 0.00 0.00 175.55 175.33 1ylb s LYS 81 N -0.11 3.86 -0.02 -0.62 1.02 -1.26 -0.33 119.74 122.28 1ylb s LYS 81 Ca 0.28 1.60 0.05 0.00 0.02 0.00 0.00 55.97 57.93 1ylb s LYS 81 Cb -0.03 -3.99 -0.01 0.00 -0.52 0.00 0.00 37.83 33.27 1ylb s LYS 81 CO -0.15 -1.21 -0.18 -0.59 -0.92 0.00 0.00 175.35 172.30 1ylb s PHE 82 N 4.91 1.59 0.37 3.18 -0.71 -0.43 -1.35 117.98 125.54 1ylb s PHE 82 Ca 0.68 -0.32 0.04 0.00 -1.04 0.00 0.00 56.93 56.29 1ylb s PHE 82 Cb -0.23 -1.03 -0.03 0.00 -1.21 0.00 0.00 43.02 40.52 1ylb s PHE 82 CO 0.27 -0.04 0.16 1.52 -1.34 0.00 0.00 175.22 175.79 1ylb s TYR 83 N -0.36 1.74 -0.34 3.49 -0.85 0.39 -0.17 117.35 121.25 1ylb s TYR 83 Ca 0.06 -1.37 -0.05 0.00 -0.52 0.00 0.00 57.07 55.18 1ylb s TYR 83 Cb -0.07 -1.00 0.05 0.00 0.38 0.00 0.00 41.96 41.31 1ylb s TYR 83 CO -0.00 -0.45 0.10 0.00 -1.52 0.00 0.00 175.55 173.67 1ylb h SER 85 N 8.17 0.21 0.20 0.00 4.64 -1.90 0.38 113.55 125.25 1ylb h SER 85 Ca -0.22 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 1ylb h SER 85 Cb 1.08 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1ylb h SER 85 CO 0.60 0.12 -0.14 -0.65 -0.87 0.00 0.00 176.83 175.90 1ylb h PRO 86 N 0.23 0.00 0.00 4.77 0.11 -1.96 -3.34 132.00 131.81 1ylb h PRO 86 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1ylb h PRO 86 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1ylb h PRO 86 CO -0.05 0.14 0.00 0.72 -0.21 0.00 0.00 178.00 178.61 1ylb n HIS 87 N -4.11 0.00 -0.26 0.65 8.25 0.10 -4.74 115.22 115.10 1ylb n HIS 87 Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 1ylb n HIS 87 Cb 0.22 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.62 1ylb n HIS 87 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1ylb h GLN 88 N 0.00 0.89 -0.01 -0.41 -0.00 -0.75 0.40 115.11 115.23 1ylb h GLN 88 Ca 0.00 -0.05 -0.18 0.00 -0.00 0.00 0.00 58.65 58.41 1ylb h GLN 88 Cb 0.04 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.48 27.31 1ylb h GLN 88 CO 0.00 0.59 -0.82 0.78 -0.00 0.00 0.00 178.83 179.38 1ylb h GLY 89 N 0.92 0.19 1.92 0.06 0.00 -1.85 -2.25 103.07 102.07 1ylb h GLY 89 Ca 0.37 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1ylb h GLY 89 CO -0.14 0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.69 1ylb n ALA 90 N -2.45 1.71 0.00 3.60 0.00 -0.54 -4.86 120.51 117.97 1ylb n ALA 90 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ylb n ALA 90 Cb 0.77 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1ylb n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ylb n GLY 91 N 0.03 1.37 3.57 0.00 0.00 -0.25 -5.05 105.19 104.85 1ylb n GLY 91 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ylb n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ylb s MET 92 N 0.00 2.80 0.01 1.61 -2.45 -0.03 -4.90 119.30 116.34 1ylb s MET 92 Ca 0.00 -0.80 0.05 0.00 -1.25 0.00 0.00 55.69 53.69 1ylb s MET 92 Cb 0.00 -5.20 -0.02 0.00 1.25 0.00 0.00 34.83 30.87 1ylb s MET 92 CO 0.00 -3.29 -0.15 0.08 1.05 0.00 0.00 175.02 172.71 1ylb s VAL 93 N 9.14 1.19 0.12 10.11 1.01 -1.26 -2.56 120.40 138.15 1ylb s VAL 93 Ca 0.65 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1ylb s VAL 93 Cb -0.03 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1ylb s VAL 93 CO 0.03 0.22 -0.19 -0.83 0.00 0.00 0.00 175.10 174.33 1ylb s GLY 94 N -0.66 1.21 -0.43 4.51 0.00 0.75 -4.70 107.32 108.00 1ylb s GLY 94 Ca 0.05 -1.28 0.03 0.00 0.00 0.00 0.00 44.72 43.52 1ylb s GLY 94 CO 0.00 -1.30 0.19 1.25 0.00 0.00 0.00 173.10 173.24 1ylb s LYS 95 N -2.18 1.54 0.69 2.90 2.20 0.10 -1.31 119.74 123.68 1ylb s LYS 95 Ca 0.08 -2.12 -0.11 0.00 -0.36 0.00 0.00 55.97 53.46 1ylb s LYS 95 Cb -0.08 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.36 1ylb s LYS 95 CO 0.04 -1.07 1.07 0.54 -0.36 0.00 0.00 175.35 175.57 1ylb s VAL 96 N 0.36 3.89 -0.20 4.02 0.11 0.55 -0.93 120.40 128.20 1ylb s VAL 96 Ca 0.15 0.61 -0.12 0.00 -2.93 0.00 0.00 61.98 59.70 1ylb s VAL 96 Cb -0.23 -3.52 0.06 0.00 -1.53 0.00 0.00 36.38 31.17 1ylb s VAL 96 CO -0.04 -0.80 0.49 -0.89 -3.33 0.00 0.00 175.10 170.53 1ylb s THR 97 N -3.21 -0.02 -0.41 5.04 2.01 -0.99 -0.34 115.64 117.71 1ylb s THR 97 Ca 0.58 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.42 1ylb s THR 97 Cb -0.12 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.69 1ylb s THR 97 CO 0.53 0.02 0.72 -0.69 -0.69 0.00 0.00 174.62 174.52 1ylb s VAL 98 N 1.36 4.76 0.00 3.82 1.01 -0.39 -0.53 120.40 130.43 1ylb s VAL 98 Ca -0.09 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1ylb s VAL 98 Cb -0.07 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1ylb s VAL 98 CO -0.13 -0.56 0.00 -3.20 0.00 0.00 0.00 175.10 171.21